#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pco h PRO 2 N 0.00 1.07 -3.13 5.55 0.11 -2.13 -3.37 132.00 130.11 1pco h PRO 2 Ca 0.00 -0.06 -0.66 0.00 0.11 0.00 0.00 66.00 65.38 1pco h PRO 2 Cb 0.00 -0.24 -0.39 0.00 0.11 0.00 0.00 31.00 30.48 1pco h PRO 2 CO 0.00 0.71 -0.33 -0.40 -0.21 0.00 0.00 178.00 177.77 1pco n ASP 3 N -4.44 3.68 0.17 -2.05 5.68 -1.26 -4.99 116.55 113.35 1pco n ASP 3 Ca 0.11 -3.20 0.05 0.00 -0.50 0.00 0.00 54.79 51.25 1pco n ASP 3 Cb 0.10 -0.90 0.26 0.00 -1.14 0.00 0.00 41.12 39.44 1pco n ASP 3 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1pco h PRO 4 N 5.57 0.00 -3.82 0.11 0.13 -2.10 -3.50 132.00 128.39 1pco h PRO 4 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1pco h PRO 4 Cb 0.77 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.84 1pco h PRO 4 CO 0.80 0.42 -0.71 -2.13 -0.23 0.00 0.00 178.00 176.14 1pco n ARG 5 N -3.45 -2.27 -2.12 0.86 0.63 -1.26 -4.90 116.66 104.15 1pco n ARG 5 Ca 0.00 1.95 -0.42 0.00 -0.92 0.00 0.00 57.85 58.46 1pco n ARG 5 Cb 0.57 -2.87 -0.00 0.00 0.45 0.00 0.00 32.46 30.61 1pco n ARG 5 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pco n GLY 6 N 0.83 3.55 0.02 5.14 0.00 -1.26 -4.84 105.19 108.63 1pco n GLY 6 Ca -0.17 -1.53 0.14 0.00 0.00 0.00 0.00 46.02 44.47 1pco n GLY 6 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1pco n ILE 7 N 5.72 0.00 -0.60 -0.61 3.06 -1.26 -5.03 119.36 120.63 1pco n ILE 7 Ca 0.51 -0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.75 1pco n ILE 7 Cb 0.42 -0.39 0.00 0.00 0.54 0.00 0.00 39.64 40.22 1pco n ILE 7 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 1pco n ILE 8 N -1.30 -1.84 -3.66 9.51 5.41 -1.26 -5.06 119.36 121.16 1pco n ILE 8 Ca 0.12 0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.49 1pco n ILE 8 Cb 0.28 -2.13 -0.06 0.00 -0.71 0.00 0.00 39.64 37.03 1pco n ILE 8 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 1pco s ILE 9 N 0.00 5.23 -0.33 1.39 -4.36 -1.26 -5.03 121.20 116.83 1pco s ILE 9 Ca 0.00 0.55 0.15 0.00 -0.26 0.00 0.00 60.65 61.09 1pco s ILE 9 Cb 0.00 -3.58 0.43 0.00 1.25 0.00 0.00 42.46 40.56 1pco s ILE 9 CO 0.00 0.58 1.34 -0.46 0.24 0.00 0.00 174.94 176.63 1pco n ASN 10 N 1.82 -0.54 -4.52 4.36 0.23 -1.24 -4.79 115.26 110.59 1pco n ASN 10 Ca -0.16 -2.29 -0.35 0.00 -0.53 0.00 0.00 54.58 51.26 1pco n ASN 10 Cb 0.53 0.36 -0.12 0.00 -2.08 0.00 0.00 39.78 38.47 1pco n ASN 10 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1pco s LEU 11 N -3.72 3.42 0.83 -4.53 2.96 -1.16 -4.80 118.68 111.67 1pco s LEU 11 Ca 0.18 -0.10 -0.12 0.00 -0.22 0.00 0.00 54.13 53.87 1pco s LEU 11 Cb 0.41 -1.86 0.11 0.00 0.50 0.00 0.00 46.19 45.35 1pco s LEU 11 CO -0.08 0.12 1.19 -1.81 -1.32 0.00 0.00 176.35 174.45 1pco s ASP 12 N 0.67 4.20 0.42 3.68 1.01 -1.26 -0.86 116.67 124.53 1pco s ASP 12 Ca 0.00 0.58 -0.25 0.00 0.71 0.00 0.00 52.55 53.60 1pco s ASP 12 Cb -0.14 -0.98 -0.08 0.00 1.01 0.00 0.00 42.92 42.73 1pco s ASP 12 CO 0.02 -2.07 1.25 -1.61 0.21 0.00 0.00 175.17 172.97 1pco s GLU 13 N -5.60 3.92 0.00 8.23 8.01 -1.26 -3.74 118.70 128.26 1pco s GLU 13 Ca 0.65 2.02 0.00 0.00 0.01 0.00 0.00 54.97 57.65 1pco s GLU 13 Cb -0.09 -2.67 0.00 0.00 -4.31 0.00 0.00 34.13 27.06 1pco s GLU 13 CO 0.49 -0.48 0.00 0.41 0.01 0.00 0.00 175.26 175.69 1pco n GLY 14 N 0.64 0.49 3.59 -1.39 0.00 0.28 -4.96 105.19 103.84 1pco n GLY 14 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1pco n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pco s GLU 15 N -0.92 2.21 0.10 1.61 0.41 -1.25 -4.91 118.70 115.96 1pco s GLU 15 Ca 0.00 -0.97 -0.31 0.00 -0.41 0.00 0.00 54.97 53.28 1pco s GLU 15 Cb 0.00 -2.35 -0.07 0.00 -1.78 0.00 0.00 34.13 29.93 1pco s GLU 15 CO 0.00 0.52 1.33 -1.17 -0.49 0.00 0.00 175.26 175.45 1pco s LEU 16 N -2.12 4.37 0.07 1.80 2.96 -1.26 -1.42 118.68 123.08 1pco s LEU 16 Ca 0.21 2.24 0.04 0.00 -0.22 0.00 0.00 54.13 56.40 1pco s LEU 16 Cb -0.11 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 1pco s LEU 16 CO 0.13 -0.59 -0.12 0.00 -1.32 0.00 0.00 176.35 174.45 1pco n LEU 18 N 1.25 2.03 -4.98 0.00 7.94 -1.26 -4.27 117.00 117.71 1pco n LEU 18 Ca -0.21 0.05 -0.20 0.00 -1.11 0.00 0.00 56.01 54.54 1pco n LEU 18 Cb 0.55 -0.07 0.03 0.00 0.53 0.00 0.00 43.42 44.46 1pco n LEU 18 CO 0.22 -0.07 0.32 0.20 -1.11 0.00 0.00 177.39 176.95 1pco s ASN 19 N -1.31 5.34 0.30 1.96 0.01 -1.26 -4.64 114.94 115.34 1pco s ASN 19 Ca 0.00 -0.11 0.25 0.00 -0.71 0.00 0.00 52.86 52.29 1pco s ASN 19 Cb 0.00 -0.80 1.04 0.00 0.41 0.00 0.00 41.25 41.90 1pco s ASN 19 CO 0.00 -1.08 1.75 0.77 -1.51 0.00 0.00 177.10 177.03 1pco h SER 20 N 0.18 0.00 0.00 -1.22 4.64 -1.84 -3.34 113.55 111.98 1pco h SER 20 Ca -0.41 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.89 1pco h SER 20 Cb 1.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 1pco h SER 20 CO 0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 176.44 1pco n ALA 21 N -1.81 3.89 0.00 5.18 0.00 -1.26 -3.59 120.51 122.92 1pco n ALA 21 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1pco n ALA 21 Cb 0.23 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1pco n ALA 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1pco n GLN 22 N 1.66 0.00 -2.92 0.00 6.02 -1.25 -4.97 117.38 115.92 1pco n GLN 22 Ca 0.04 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.71 1pco n GLN 22 Cb 0.48 -0.56 -0.05 0.00 1.02 0.00 0.00 30.24 31.13 1pco n GLN 22 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pco h LYS 24 N 1.70 -0.77 -6.18 0.00 1.57 -1.30 -3.29 116.57 108.29 1pco h LYS 24 Ca -0.48 0.05 -0.57 0.00 -1.87 0.00 0.00 60.65 57.79 1pco h LYS 24 Cb 1.18 0.18 -0.10 0.00 0.08 0.00 0.00 32.23 33.57 1pco h LYS 24 CO 0.64 -0.52 0.89 -1.12 -0.57 0.00 0.00 179.45 178.77 1pco s SER 25 N -4.49 6.25 -1.14 0.86 0.01 -1.26 -4.95 113.70 108.99 1pco s SER 25 Ca -0.17 -0.41 -0.22 0.00 1.31 0.00 0.00 55.95 56.46 1pco s SER 25 Cb 0.04 -2.52 -0.08 0.00 0.21 0.00 0.00 66.02 63.67 1pco s SER 25 CO 0.62 -1.61 1.92 -3.20 0.41 0.00 0.00 173.24 171.38 1pco n ASN 26 N 8.62 3.19 -3.30 2.44 2.85 -1.24 -4.78 115.26 123.05 1pco n ASN 26 Ca 0.03 -2.72 -0.09 0.00 -0.11 0.00 0.00 54.58 51.69 1pco n ASN 26 Cb 0.48 -1.64 -0.05 0.00 1.24 0.00 0.00 39.78 39.81 1pco n ASN 26 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pco s GLN 29 N 3.80 4.12 0.18 0.00 -0.44 -0.49 -1.08 119.66 125.74 1pco s GLN 29 Ca 0.39 0.01 -0.30 0.00 -2.50 0.00 0.00 55.36 52.97 1pco s GLN 29 Cb -0.10 -3.55 -0.07 0.00 -1.64 0.00 0.00 33.01 27.64 1pco s GLN 29 CO 0.25 -0.03 0.94 -1.58 0.50 0.00 0.00 175.29 175.37 1pco s HIS 30 N 1.29 3.90 0.44 1.67 5.65 -0.63 -1.50 115.29 126.12 1pco s HIS 30 Ca 0.14 1.84 0.28 0.00 0.25 0.00 0.00 55.06 57.57 1pco s HIS 30 Cb -0.14 -3.00 1.51 0.00 -1.18 0.00 0.00 32.58 29.77 1pco s HIS 30 CO 0.07 0.35 2.10 0.38 -0.65 0.00 0.00 174.74 176.99 1pco h ASP 31 N 4.80 0.00 0.00 9.88 2.03 -1.89 -3.47 116.42 127.77 1pco h ASP 31 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 1pco h ASP 31 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 1pco h ASP 31 CO 0.70 0.10 0.00 0.35 -1.03 0.00 0.00 179.24 179.35 1pco n THR 32 N -3.68 0.00 0.00 1.15 -2.24 -1.26 -4.97 114.28 103.27 1pco n THR 32 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1pco n THR 32 Cb 0.21 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1pco n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pco n ILE 33 N 0.00 0.00 -2.50 2.28 0.13 -1.26 -4.77 119.36 113.23 1pco n ILE 33 Ca 0.00 0.00 -0.39 0.00 -1.10 0.00 0.00 62.75 61.26 1pco n ILE 33 Cb 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 38.77 1pco n ILE 33 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 1pco s LEU 34 N 0.00 3.45 -0.54 9.51 2.96 -1.26 -4.95 118.68 127.85 1pco s LEU 34 Ca 0.00 -1.33 -0.30 0.00 -0.22 0.00 0.00 54.13 52.28 1pco s LEU 34 Cb 0.00 -2.57 -0.12 0.00 0.50 0.00 0.00 46.19 44.00 1pco s LEU 34 CO 0.00 -1.65 2.40 -1.54 -1.32 0.00 0.00 176.35 174.23 1pco n SER 35 N 9.46 1.86 -3.25 3.68 3.41 -1.26 -4.84 113.62 122.68 1pco n SER 35 Ca 0.33 -0.01 -0.20 0.00 -0.26 0.00 0.00 58.87 58.73 1pco n SER 35 Cb 0.51 -1.33 -0.07 0.00 -0.26 0.00 0.00 64.21 63.05 1pco n SER 35 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1pco s LEU 36 N 9.65 0.40 -0.00 1.04 2.96 -1.26 -5.09 118.68 126.38 1pco s LEU 36 Ca 1.11 -2.37 -0.06 0.00 -0.22 0.00 0.00 54.13 52.58 1pco s LEU 36 Cb -0.65 0.32 -0.05 0.00 0.50 0.00 0.00 46.19 46.31 1pco s LEU 36 CO 0.39 -0.17 0.24 -0.44 -1.32 0.00 0.00 176.35 175.05 1pco s SER 37 N 0.62 6.46 -0.01 3.68 0.01 -1.26 -3.94 113.70 119.27 1pco s SER 37 Ca 0.28 0.51 0.02 0.00 1.31 0.00 0.00 55.95 58.07 1pco s SER 37 Cb -0.03 -2.07 -0.00 0.00 0.21 0.00 0.00 66.02 64.12 1pco s SER 37 CO -0.11 0.26 -0.07 -0.60 0.41 0.00 0.00 173.24 173.13 1pco s ARG 38 N -1.74 0.65 0.44 12.44 3.52 -0.56 -1.24 118.95 132.46 1pco s ARG 38 Ca 0.27 -0.26 -0.24 0.00 -0.13 0.00 0.00 55.73 55.37 1pco s ARG 38 Cb -0.13 -0.63 -0.08 0.00 -1.56 0.00 0.00 34.95 32.55 1pco s ARG 38 CO 0.16 0.14 1.22 0.00 -0.81 0.00 0.00 175.30 176.00 1pco s ALA 40 N -1.42 1.17 0.28 0.00 0.00 -1.18 -0.56 121.76 120.05 1pco s ALA 40 Ca 0.61 -1.70 -0.25 0.00 0.00 0.00 0.00 51.96 50.63 1pco s ALA 40 Cb -0.33 1.36 -0.09 0.00 0.00 0.00 0.00 23.12 24.06 1pco s ALA 40 CO 0.40 -0.65 0.88 -1.17 0.00 0.00 0.00 175.76 175.22 1pco s LEU 41 N -3.20 4.38 0.47 0.00 2.96 -1.26 -4.78 118.68 117.25 1pco s LEU 41 Ca 0.37 1.73 -0.23 0.00 -0.22 0.00 0.00 54.13 55.78 1pco s LEU 41 Cb 0.05 -3.83 -0.07 0.00 0.50 0.00 0.00 46.19 42.84 1pco s LEU 41 CO 0.16 -0.01 1.25 -1.59 -1.32 0.00 0.00 176.35 174.85 1pco s LYS 42 N -1.91 3.63 0.66 1.98 -2.85 -1.26 -4.75 119.74 115.23 1pco s LYS 42 Ca 0.47 1.99 -0.11 0.00 -1.00 0.00 0.00 55.97 57.32 1pco s LYS 42 Cb -0.19 -2.44 -0.01 0.00 -2.06 0.00 0.00 37.83 33.12 1pco s LYS 42 CO 0.24 -0.72 1.05 0.00 0.10 0.00 0.00 175.35 176.01 1pco s ALA 43 N -1.41 2.86 0.37 0.59 0.00 0.08 -4.68 121.76 119.58 1pco s ALA 43 Ca 0.64 0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.68 1pco s ALA 43 Cb -0.34 -3.14 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 1pco s ALA 43 CO 0.42 -0.97 0.04 1.03 0.00 0.00 0.00 175.76 176.27 1pco s ARG 44 N -5.06 1.81 -0.11 0.00 0.52 -1.26 -1.84 118.95 113.00 1pco s ARG 44 Ca 0.57 -2.02 -0.40 0.00 -0.52 0.00 0.00 55.73 53.36 1pco s ARG 44 Cb -0.13 -1.19 -0.18 0.00 0.52 0.00 0.00 34.95 33.98 1pco s ARG 44 CO 0.54 -0.15 1.43 -1.91 0.02 0.00 0.00 175.30 175.23 1pco n GLU 45 N -0.83 0.76 -1.11 3.54 2.13 -1.26 -1.70 120.64 122.17 1pco n GLU 45 Ca -0.04 0.28 -0.04 0.00 0.66 0.00 0.00 57.16 58.02 1pco n GLU 45 Cb 0.67 -1.88 -0.02 0.00 0.27 0.00 0.00 31.44 30.48 1pco n GLU 45 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1pco n ASN 46 N 3.31 -3.56 -4.64 4.31 3.02 -0.27 -4.99 115.26 112.44 1pco n ASN 46 Ca 0.23 0.09 -0.30 0.00 -0.03 0.00 0.00 54.58 54.57 1pco n ASN 46 Cb 0.12 -1.39 -0.09 0.00 -0.61 0.00 0.00 39.78 37.80 1pco n ASN 46 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1pco s SER 47 N -2.79 4.79 -0.12 6.41 0.15 -0.69 -4.89 113.70 116.56 1pco s SER 47 Ca 0.00 -0.23 -0.29 0.00 0.70 0.00 0.00 55.95 56.12 1pco s SER 47 Cb 0.00 -1.08 -0.03 0.00 -1.71 0.00 0.00 66.02 63.20 1pco s SER 47 CO 0.00 0.19 1.43 -1.61 1.20 0.00 0.00 173.24 174.45 1pco s GLU 48 N -2.15 4.20 0.16 5.44 2.02 -1.26 -1.26 118.70 125.85 1pco s GLU 48 Ca 0.23 1.87 0.09 0.00 0.02 0.00 0.00 54.97 57.18 1pco s GLU 48 Cb -0.11 -3.86 -0.04 0.00 0.10 0.00 0.00 34.13 30.21 1pco s GLU 48 CO 0.15 -0.78 -0.20 0.00 0.02 0.00 0.00 175.26 174.45 1pco s SER 50 N -2.58 6.27 0.00 0.00 0.15 -1.13 -0.91 113.70 115.50 1pco s SER 50 Ca 0.16 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.30 1pco s SER 50 Cb -0.07 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1pco s SER 50 CO 0.07 -0.73 0.89 0.00 1.20 0.00 0.00 173.24 174.68 1pco n ALA 51 N 6.04 2.40 -2.34 5.45 0.00 -1.20 -4.09 120.51 126.76 1pco n ALA 51 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.32 1pco n ALA 51 Cb 0.47 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.84 1pco n ALA 51 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1pco s PHE 52 N -1.99 0.35 -0.02 0.00 -0.71 -1.26 -4.97 117.98 109.37 1pco s PHE 52 Ca 0.00 -0.83 0.03 0.00 -1.04 0.00 0.00 56.93 55.09 1pco s PHE 52 Cb 0.00 -0.22 0.00 0.00 -1.21 0.00 0.00 43.02 41.59 1pco s PHE 52 CO 0.00 -0.48 -0.11 0.95 -1.34 0.00 0.00 175.22 174.25 1pco s THR 53 N -3.90 0.89 0.00 -4.49 -4.23 -1.26 -4.97 115.64 97.68 1pco s THR 53 Ca 0.07 -0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 1pco s THR 53 Cb 0.06 -0.78 0.00 0.00 1.34 0.00 0.00 72.50 73.12 1pco s THR 53 CO -0.10 0.27 0.00 0.00 -0.54 0.00 0.00 174.62 174.25 1pco n LEU 54 N 3.18 0.00 -3.48 4.79 -0.00 -1.26 -5.05 117.00 115.18 1pco n LEU 54 Ca -0.17 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.57 1pco n LEU 54 Cb 0.54 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.87 1pco n LEU 54 CO 0.25 0.00 -0.11 0.00 -0.00 0.00 0.00 177.39 177.53 1pco n TYR 55 N 0.00 1.83 0.00 1.47 9.36 -1.26 -5.07 117.16 123.48 1pco n TYR 55 Ca 0.00 -3.91 0.00 0.00 3.32 0.00 0.00 57.90 57.31 1pco n TYR 55 Cb 0.00 -0.39 0.00 0.00 -0.63 0.00 0.00 39.34 38.32 1pco n TYR 55 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1pco n GLY 56 N 1.58 -0.52 3.86 2.98 0.00 -1.26 -4.91 105.19 106.93 1pco n GLY 56 Ca 0.25 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 1pco n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pco s VAL 57 N -4.00 4.94 -0.04 1.61 1.01 -1.26 -2.74 120.40 119.91 1pco s VAL 57 Ca 0.00 0.59 0.07 0.00 0.00 0.00 0.00 61.98 62.64 1pco s VAL 57 Cb 0.00 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1pco s VAL 57 CO 0.00 0.12 -0.25 -0.31 0.00 0.00 0.00 175.10 174.66 1pco s TYR 58 N -1.60 2.40 -1.03 5.22 2.02 -0.24 -4.97 117.35 119.15 1pco s TYR 58 Ca 0.41 -0.61 0.23 0.00 -0.37 0.00 0.00 57.07 56.74 1pco s TYR 58 Cb -0.13 -1.56 1.01 0.00 -0.40 0.00 0.00 41.96 40.88 1pco s TYR 58 CO 0.20 -0.14 1.75 0.66 -1.57 0.00 0.00 175.55 176.45 1pco n TYR 59 N 2.75 0.00 -3.60 2.71 4.01 -1.26 -1.61 117.16 120.16 1pco n TYR 59 Ca -0.17 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.55 1pco n TYR 59 Cb 0.52 -0.49 -0.05 0.00 -0.31 0.00 0.00 39.34 39.00 1pco n TYR 59 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1pco s LYS 60 N -2.97 0.52 0.47 -0.72 -2.85 -1.26 -4.82 119.74 108.10 1pco s LYS 60 Ca 0.12 1.08 -0.24 0.00 -1.00 0.00 0.00 55.97 55.93 1pco s LYS 60 Cb 0.15 0.41 -0.07 0.00 -2.06 0.00 0.00 37.83 36.26 1pco s LYS 60 CO 0.42 -0.14 1.36 0.00 0.10 0.00 0.00 175.35 177.09 1pco n PRO 62 N -0.36 -2.39 -1.70 0.00 -0.02 -1.26 -3.73 135.00 125.54 1pco n PRO 62 Ca 0.06 -0.68 -0.30 0.00 -2.02 0.00 0.00 63.50 60.56 1pco n PRO 62 Cb 0.44 -1.97 0.06 0.00 -0.02 0.00 0.00 33.50 32.01 1pco n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pco s GLU 64 N -5.22 0.54 -0.22 0.00 -1.05 -0.77 -4.70 118.70 107.28 1pco s GLU 64 Ca 0.59 0.10 -0.29 0.00 -0.15 0.00 0.00 54.97 55.22 1pco s GLU 64 Cb -0.13 -1.79 -0.03 0.00 -0.44 0.00 0.00 34.13 31.74 1pco s GLU 64 CO 0.53 -2.57 1.78 0.50 0.95 0.00 0.00 175.26 176.46 1pco s ARG 65 N -5.40 3.62 0.00 -4.83 6.06 -1.26 -2.54 118.95 114.59 1pco s ARG 65 Ca 0.67 1.75 0.00 0.00 -2.50 0.00 0.00 55.73 55.65 1pco s ARG 65 Cb -0.12 -4.14 0.00 0.00 0.06 0.00 0.00 34.95 30.75 1pco s ARG 65 CO 0.54 -1.52 0.00 0.41 -2.50 0.00 0.00 175.30 172.23 1pco n GLY 66 N 5.00 0.55 2.89 8.12 0.00 -1.26 -5.09 105.19 115.40 1pco n GLY 66 Ca 0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.06 1pco n GLY 66 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pco s LEU 67 N 0.00 1.49 0.31 0.99 0.20 -1.05 -4.94 118.68 115.67 1pco s LEU 67 Ca 0.00 -0.09 0.02 0.00 0.69 0.00 0.00 54.13 54.75 1pco s LEU 67 Cb 0.00 -0.33 -0.03 0.00 -0.43 0.00 0.00 46.19 45.40 1pco s LEU 67 CO 0.00 -0.03 0.48 0.28 -0.29 0.00 0.00 176.35 176.79 1pco s THR 68 N 0.63 5.16 -0.16 3.68 -1.32 -0.27 -3.91 115.64 119.44 1pco s THR 68 Ca -0.07 -0.64 -0.17 0.00 -1.21 0.00 0.00 61.69 59.60 1pco s THR 68 Cb -0.11 -3.86 -0.04 0.00 -1.51 0.00 0.00 72.50 66.98 1pco s THR 68 CO -0.00 -0.47 0.44 0.00 -2.21 0.00 0.00 174.62 172.37 1pco n GLU 70 N 4.09 3.63 -1.29 0.00 -0.58 -0.36 -4.94 120.64 121.18 1pco n GLU 70 Ca -0.08 -4.34 -0.41 0.00 -0.42 0.00 0.00 57.16 51.91 1pco n GLU 70 Cb 0.51 -2.64 -0.06 0.00 -0.57 0.00 0.00 31.44 28.69 1pco n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pco n GLY 71 N 2.76 2.33 0.64 0.62 0.00 -1.26 -3.27 105.19 107.01 1pco n GLY 71 Ca 0.27 -1.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.09 1pco n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pco n ASP 72 N 8.51 0.32 -3.64 1.61 8.00 -1.21 -4.84 116.55 125.30 1pco n ASP 72 Ca 0.49 0.05 -0.10 0.00 0.71 0.00 0.00 54.79 55.94 1pco n ASP 72 Cb 0.41 -0.26 -0.07 0.00 -0.02 0.00 0.00 41.12 41.19 1pco n ASP 72 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1pco s LYS 73 N -1.30 0.66 -0.32 -1.24 -2.85 -0.81 -4.70 119.74 109.18 1pco s LYS 73 Ca -0.02 0.91 -0.02 0.00 -1.00 0.00 0.00 55.97 55.84 1pco s LYS 73 Cb 0.00 0.26 0.12 0.00 -2.06 0.00 0.00 37.83 36.15 1pco s LYS 73 CO 0.04 -0.10 0.20 0.45 0.10 0.00 0.00 175.35 176.03 1pco s SER 74 N 0.78 2.91 -0.11 0.03 0.15 -1.10 -4.67 113.70 111.69 1pco s SER 74 Ca -0.03 -1.53 -0.07 0.00 0.70 0.00 0.00 55.95 55.02 1pco s SER 74 Cb -0.05 -0.17 0.03 0.00 -1.71 0.00 0.00 66.02 64.12 1pco s SER 74 CO -0.08 -0.38 0.15 -0.11 1.20 0.00 0.00 173.24 174.02 1pco n LEU 75 N 4.79 -4.92 -0.28 3.45 7.94 -1.26 -4.89 117.00 121.84 1pco n LEU 75 Ca 0.02 1.67 -0.06 0.00 -1.11 0.00 0.00 56.01 56.53 1pco n LEU 75 Cb 0.41 -2.58 0.06 0.00 0.53 0.00 0.00 43.42 41.84 1pco n LEU 75 CO 0.07 -2.70 1.03 0.58 -1.11 0.00 0.00 177.39 175.27 1pco h VAL 76 N 2.85 1.26 -0.31 1.96 2.07 -1.96 -3.20 116.25 118.91 1pco h VAL 76 Ca -0.34 -0.82 -0.12 0.00 0.82 0.00 0.00 66.70 66.24 1pco h VAL 76 Cb 0.77 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 1pco h VAL 76 CO 0.01 0.33 0.15 0.61 0.02 0.00 0.00 177.57 178.69 1pco n GLY 77 N -0.85 2.60 2.41 2.17 0.00 -1.26 -4.66 105.19 105.59 1pco n GLY 77 Ca 0.06 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 1pco n GLY 77 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pco n SER 78 N 0.02 7.79 0.00 1.61 3.41 -1.21 -4.90 113.62 120.33 1pco n SER 78 Ca 0.18 -2.98 0.00 0.00 -0.26 0.00 0.00 58.87 55.81 1pco n SER 78 Cb 0.82 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 1pco n SER 78 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1pco n ILE 79 N 2.06 0.00 -4.41 -1.33 -5.35 -1.26 -4.71 119.36 104.36 1pco n ILE 79 Ca 0.63 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.85 1pco n ILE 79 Cb 0.34 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.13 1pco n ILE 79 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1pco s THR 80 N 0.00 2.63 -0.37 7.28 -4.23 -1.26 -5.12 115.64 114.57 1pco s THR 80 Ca 0.00 -2.10 0.03 0.00 -1.18 0.00 0.00 61.69 58.44 1pco s THR 80 Cb 0.00 -2.33 0.15 0.00 1.34 0.00 0.00 72.50 71.67 1pco s THR 80 CO 0.00 -0.24 0.36 0.21 -0.54 0.00 0.00 174.62 174.41 1pco s ASN 81 N -3.08 1.33 0.00 3.99 3.84 -1.26 -4.93 114.94 114.82 1pco s ASN 81 Ca 0.26 -1.60 0.00 0.00 0.21 0.00 0.00 52.86 51.72 1pco s ASN 81 Cb -0.07 0.48 0.00 0.00 -0.55 0.00 0.00 41.25 41.11 1pco s ASN 81 CO 0.13 -0.27 0.00 1.07 -2.79 0.00 0.00 177.10 175.25 1pco n THR 82 N 4.26 0.00 -3.40 -5.21 5.66 -1.26 -4.98 114.28 109.36 1pco n THR 82 Ca 0.11 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.84 1pco n THR 82 Cb 0.44 -0.17 -0.08 0.00 -1.55 0.00 0.00 70.33 68.97 1pco n THR 82 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1pco n ASN 83 N 0.00 2.55 -4.92 1.09 2.85 -1.26 -5.00 115.26 110.57 1pco n ASN 83 Ca 0.00 -3.18 -0.30 0.00 -0.11 0.00 0.00 54.58 50.99 1pco n ASN 83 Cb 0.00 -0.66 -0.04 0.00 1.24 0.00 0.00 39.78 40.32 1pco n ASN 83 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1pco s PHE 84 N -1.94 3.50 0.04 1.20 0.08 -1.26 -3.28 117.98 116.32 1pco s PHE 84 Ca 0.37 0.32 0.01 0.00 0.12 0.00 0.00 56.93 57.74 1pco s PHE 84 Cb 0.14 -1.82 -0.00 0.00 -0.57 0.00 0.00 43.02 40.77 1pco s PHE 84 CO -0.06 0.53 0.04 0.41 -0.10 0.00 0.00 175.22 176.04 1pco n GLY 85 N 0.08 3.69 3.44 4.36 0.00 -0.09 -1.93 105.19 114.73 1pco n GLY 85 Ca -0.05 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 1pco n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pco s ILE 86 N -2.24 3.01 0.05 -0.61 -1.09 -1.20 -0.70 121.20 118.42 1pco s ILE 86 Ca 0.05 -0.72 -0.31 0.00 -2.23 0.00 0.00 60.65 57.44 1pco s ILE 86 Cb 0.00 -2.20 -0.07 0.00 -1.58 0.00 0.00 42.46 38.61 1pco s ILE 86 CO 0.03 0.57 1.51 0.00 -1.23 0.00 0.00 174.94 175.82 1pco s HIS 88 N 2.27 0.28 -0.44 0.00 3.76 0.24 -1.11 115.29 120.29 1pco s HIS 88 Ca 0.68 -0.67 -0.16 0.00 -0.15 0.00 0.00 55.06 54.76 1pco s HIS 88 Cb -0.36 -0.19 0.04 0.00 1.11 0.00 0.00 32.58 33.17 1pco s HIS 88 CO 0.29 -0.40 0.40 1.21 -0.85 0.00 0.00 174.74 175.40 1pco s ASN 89 N -2.44 6.16 -1.16 1.40 3.84 -1.26 -1.12 114.94 120.35 1pco s ASN 89 Ca -0.00 -0.91 -0.06 0.00 0.21 0.00 0.00 52.86 52.10 1pco s ASN 89 Cb 0.02 -2.20 0.25 0.00 -0.55 0.00 0.00 41.25 38.77 1pco s ASN 89 CO -0.07 -0.58 1.72 0.55 -2.79 0.00 0.00 177.10 175.92 1pco n VAL 90 N 5.32 5.07 -1.99 -5.21 3.14 -1.26 -4.63 118.33 118.77 1pco n VAL 90 Ca -0.09 -5.31 -0.02 0.00 -2.96 0.00 0.00 64.34 55.95 1pco n VAL 90 Cb 0.46 -2.12 0.01 0.00 -1.06 0.00 0.00 33.84 31.13 1pco n VAL 90 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pco n GLY 91 N 1.72 0.46 7.00 7.55 0.00 -1.26 -4.90 105.19 115.76 1pco n GLY 91 Ca 0.35 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1pco n GLY 91 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1pco n ARG 92 N -1.61 0.00 -0.65 1.61 1.85 -1.26 -5.25 116.66 111.35 1pco n ARG 92 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 1pco n ARG 92 Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 1pco n ARG 92 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07